Using the command
antechamber -i <name>.pdb -fi pdb -o <name>.com -fo gcrt
to generate the input to Gaussian 98, I get the following error at the end
of the gaussian output file:
----------------------------------------------------------------------------
---
Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07
Number of steps in this run= 306 maximum allowed number of steps= 306.
Optmz4 allocation failure: iend,mxcore= 10467467 6291456
Error termination via Lnk1e in /usr/local/fbscapp/g98_A11.3/g98/l103.exe.
Job cpu time: 0 days 0 hours 0 minutes 2.2 seconds.
File lengths (MBytes): RWF= 38 Int= 0 D2E= 0 Chk= 1 Scr= 1
Can anyone tell me what the problem might be?
Received on Wed Oct 02 2002 - 18:22:59 PDT